BDBM4429 (4S,5S)-2,7-bis({[2-(4-butylphenyl)phenyl]methyl})-4,5-dihydroxy-1,2,7-thiadiazepane-1,1-dione::cyclic sulfamide, biphenyl analog 16

SMILES CCCCc1ccc(cc1)-c1ccccc1CN1C[C@H](O)[C@@H](O)CN(Cc2ccccc2-c2ccc(CCCC)cc2)S1(=O)=O

InChI Key InChIKey=KNGZKDOROKBQAH-UHFFFAOYSA-N

Data  1 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 4429   

TargetDimer of Gag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Uppsala University

LigandPNGBDBM4429((4S,5S)-2,7-bis({[2-(4-butylphenyl)phenyl]methyl})...)
Affinity DataKi:  1.90E+3nM ΔG°:  -7.93kcal/molepH: 5.0 T: 2°CAssay Description:The effects of the inhibitors on the activity of HIV-1 proteinase was determined by a fluorometric assay with an internally quenched fluorescent pept...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2005
Entry Details Article
PubMed